SCHEMBL19971775

SCHEMBL19971775

O=C(c1cc2c(cc1F)OCCN2)N1CC(OCc2cccc(Cl)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MGLL Q99685 4/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19833883 0.85 TP53 (0.42) HDAC8SMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL19834029 0.76 NR3C2 (0.44) MGLL
SCHEMBL22386268 0.75 MGLL (0.45) SMN1; SMN2ALDH1A1TSHRMGLLPARP1
SCHEMBL19834087 0.75 DRD4 (0.44) KDM4EALDH1A1MGLLPARP1DRD4
SCHEMBL19833924 0.74 LMNA (0.42) KDM4EALDH1A1TSHRHTTMGLL
SCHEMBL19833721 0.74 RAF1 (0.38) MGLLGRM5DRD3
SCHEMBL19834057 0.74 NR3C2 (0.42) KDM4EALDH1A1MGLLPARP1DRD4
SCHEMBL19847924 0.73 SPR (0.36) ALDH1A1TSHRMGLLMAPK1PARP1
SCHEMBL19833944 0.73 TP53 (0.45) DRD4DRD3
SCHEMBL19833921 0.73 MAP3K5 (0.40) MGLLSPR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106556-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-23 — — US disclosed
US-20180079756-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180079756-A1 HETEROCYCLIC COMPOUND MAG, ACHE, HTT MAOB 230/4885HDAC8 1150/4885SMN1; SMN2 149/4885
US-10106556-B2 Heterocyclic compound MAG, ACHE, HTT MAOB 230/4885HDAC8 1150/4885SMN1; SMN2 149/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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